| SpectraBase Compound ID | KfWTainD8MN |
|---|---|
| InChI | InChI=1S/C17H21Cl3O4/c1-2-3-4-5-9-23-16(21)7-6-8-17(22)24-15-11-13(19)12(18)10-14(15)20/h10-11H,2-9H2,1H3 |
| InChIKey | HHRNSXJJZPFABN-UHFFFAOYSA-N |
| Mol Weight | 395.71 g/mol |
| Molecular Formula | C17H21Cl3O4 |
| Exact Mass | 394.050542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JZZJG87rf0T |
|---|---|
| Name | Glutaric acid, hexyl 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.050542252 u |
| Formula | C17H21Cl3O4 |
| InChI | InChI=1S/C17H21Cl3O4/c1-2-3-4-5-9-23-16(21)7-6-8-17(22)24-15-11-13(19)12(18)10-14(15)20/h10-11H,2-9H2,1H3 |
| InChIKey | HHRNSXJJZPFABN-UHFFFAOYSA-N |
| Molecular Weight | 395.710 g/mol |
| SMILES | CCCCCCOC(CCCC(OC1=CC(=C(C=C1Cl)Cl)Cl)=O)=O |